4-(2,2,2-trifluoroethoxy)aniline

C8H8F3NO — CID 2777119

IUPAC4-(2,2,2-trifluoroethoxy)aniline
SMILESNc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
InChIKeyOXFDNUZWKFKMSB-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.21
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)aniline

4-(2,2,2-trifluoroethoxy)aniline (PubChem CID 2777119) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)aniline
PubChem CID2777119
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name4-(2,2,2-trifluoroethoxy)aniline
SMILESNc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
InChIKeyOXFDNUZWKFKMSB-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)aniline (CID 2777119) is 4-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)aniline is Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is OXFDNUZWKFKMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)aniline?
4-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 191.15 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 2777119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).